Detailed mechanisms of amoxicillin decomposition in supercritical water by ReaxFF reactive molecular dynamics simulation
Jingwei Chen, Yu Bai, Tian Meng, Qiteng Wang, Chenxi Wang, E Jiaqiang
Topics & Concepts
ReaxFFSupercritical fluidMolecular dynamicsChemistryWastewaterDecompositionChemical engineeringOrganic chemistryComputational chemistryEnvironmental engineeringEnvironmental scienceInteratomic potentialEngineeringSubcritical and Supercritical Water ProcessesPharmaceutical and Antibiotic Environmental ImpactsEnvironmental remediation with nanomaterials